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{
"id": "mp-559721",
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"structure_string": "K4 B4 C4 F24\n1.0\n16.589579 0.000000 0.000000\n0.000000 4.914129 0.000000\n0.000000 1.337186 6.297772\nK B C F\n4 4 4 24\ndirect\n0.655163 0.180500 0.279920 K\n0.155163 0.819500 0.220080 K\n0.344837 0.819500 0.720080 K\n0.844837 0.180500 0.779920 K\n0.338916 0.285631 0.152467 B\n0.661084 0.714369 0.847533 B\n0.161084 0.285631 0.652467 B\n0.838916 0.714369 0.347533 B\n0.582273 0.614068 0.726551 C\n0.417727 0.385932 0.273449 C\n0.917727 0.614068 0.226551 C\n0.082273 0.385932 0.773449 C\n0.400102 0.413791 0.480149 F\n0.599898 0.586209 0.519851 F\n0.281692 0.506047 0.109682 F\n0.099898 0.413791 0.980149 F\n0.481222 0.199031 0.296955 F\n0.551014 0.363241 0.826896 F\n0.948986 0.363241 0.326896 F\n0.718308 0.493953 0.890318 F\n0.196107 0.047753 0.785270 F\n0.363552 0.224229 0.956289 F\n0.863552 0.775771 0.543711 F\n0.448986 0.636759 0.173104 F\n0.803893 0.952247 0.214730 F\n0.018778 0.199031 0.796955 F\n0.636448 0.775771 0.043711 F\n0.900102 0.586209 0.019851 F\n0.136448 0.224229 0.456289 F\n0.781692 0.493953 0.390318 F\n0.696107 0.952247 0.714730 F\n0.303893 0.047753 0.285270 F\n0.518778 0.800969 0.703045 F\n0.051014 0.636759 0.673104 F\n0.218308 0.506047 0.609682 F\n0.981222 0.800969 0.203045 F\n",
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{
"id": "mp-1103771",
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"structure_string": "Ba2 Li4 Mn2 V4 O16\n1.0\n-2.674715 -4.635085 0.000750\n-5.357928 0.006102 -7.402246\n2.675281 -4.634218 -7.395748\nBa Li Mn V O\n2 4 2 4 16\ndirect\n0.750186 0.250086 0.249791 Ba\n0.249956 0.750113 0.749889 Ba\n0.618609 0.714405 0.048124 Li\n0.118742 0.214406 0.548075 Li\n0.381229 0.285615 0.951931 Li\n0.881313 0.785614 0.451881 Li\n0.500920 0.499713 0.500182 Mn\n0.999560 0.000026 0.999823 Mn\n0.126665 0.539702 0.207049 V\n0.626591 0.039688 0.707027 V\n0.873388 0.460338 0.793004 V\n0.373284 0.960281 0.292999 V\n0.243798 0.423295 0.090188 O\n0.743768 0.923289 0.590211 O\n0.756211 0.576719 0.909801 O\n0.256169 0.076722 0.409853 O\n0.774539 0.262117 0.922452 O\n0.274620 0.762082 0.422481 O\n0.220518 0.441638 0.742842 O\n0.720412 0.941626 0.242897 O\n0.728588 0.574745 0.609876 O\n0.228495 0.074683 0.109930 O\n0.225202 0.737927 0.077499 O\n0.725466 0.237842 0.577588 O\n0.779456 0.558365 0.257172 O\n0.279424 0.058372 0.757181 O\n0.271498 0.425324 0.390115 O\n0.771391 0.925267 0.890138 O\n",
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"formula_full": "Ba2 Li4 Mn2 V4 O16",
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{
"id": "mp-1102911",
"created_at": "2022-09-04T14:42:17.209151Z",
"structure_string": "Sr4 F8\n1.0\n3.830792 0.000000 0.000000\n0.000000 6.372042 0.000000\n0.000000 0.000000 7.521377\nSr F\n4 8\ndirect\n0.750000 0.251454 0.386083 Sr\n0.750000 0.751454 0.113917 Sr\n0.250000 0.748546 0.613917 Sr\n0.250000 0.248546 0.886083 Sr\n0.750000 0.142607 0.071381 F\n0.750000 0.642607 0.428619 F\n0.250000 0.857393 0.928619 F\n0.250000 0.357393 0.571381 F\n0.750000 0.526455 0.833088 F\n0.750000 0.026455 0.666912 F\n0.250000 0.473545 0.166912 F\n0.250000 0.973545 0.333088 F\n",
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"density": 4.5445645619890485,
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"formula_full": "Sr4 F8",
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{
"id": "mp-757646",
"created_at": "2022-09-04T14:42:11.538063Z",
"structure_string": "Li12 Mn4 P8 O32\n1.0\n0.009634 0.080684 6.199997\n-0.004801 8.508861 0.066644\n-10.717639 0.006139 -0.016711\nLi Mn P O\n12 4 8 32\ndirect\n0.000027 0.000308 0.000139 Li\n0.000204 0.499934 0.250229 Li\n0.999819 0.000189 0.500221 Li\n0.999909 0.500132 0.750282 Li\n0.230606 0.331337 0.500164 Li\n0.230402 0.831497 0.750048 Li\n0.230592 0.331479 0.999866 Li\n0.230395 0.831321 0.249759 Li\n0.769418 0.168504 0.250230 Li\n0.769579 0.668505 0.500124 Li\n0.769407 0.168687 0.750003 Li\n0.769660 0.668677 0.000327 Li\n0.500151 0.999999 0.000031 Mn\n0.499930 0.500093 0.250081 Mn\n0.499740 0.999925 0.499850 Mn\n0.499832 0.499927 0.749803 Mn\n0.732381 0.353416 0.500072 P\n0.732234 0.853552 0.750016 P\n0.732418 0.353550 0.000044 P\n0.732272 0.853439 0.250008 P\n0.267618 0.146458 0.249920 P\n0.267724 0.646435 0.499960 P\n0.267608 0.146552 0.749926 P\n0.267805 0.646550 0.999986 P\n0.939189 0.255579 0.499946 O\n0.939059 0.755724 0.749890 O\n0.939248 0.255735 0.999822 O\n0.939024 0.755576 0.249868 O\n0.060792 0.244233 0.250070 O\n0.060937 0.744238 0.500031 O\n0.060803 0.244383 0.750119 O\n0.061025 0.744392 0.000193 O\n0.531258 0.252566 0.500018 O\n0.531080 0.752730 0.749970 O\n0.531272 0.252716 0.000042 O\n0.531131 0.752622 0.249939 O\n0.468722 0.247247 0.249981 O\n0.468881 0.747225 0.500039 O\n0.468746 0.247407 0.749930 O\n0.468936 0.747350 0.000021 O\n0.730426 0.469493 0.617070 O\n0.730254 0.969717 0.866989 O\n0.730577 0.469559 0.117116 O\n0.730244 0.969527 0.367017 O\n0.270415 0.030233 0.367509 O\n0.270341 0.530383 0.617596 O\n0.270438 0.030453 0.867518 O\n0.270551 0.530389 0.117587 O\n0.729714 0.469433 0.382427 O\n0.729586 0.969552 0.632354 O\n0.729560 0.469682 0.882448 O\n0.729674 0.969486 0.132382 O\n0.269511 0.030504 0.132835 O\n0.269763 0.530335 0.382970 O\n0.269442 0.030539 0.632875 O\n0.269671 0.530526 0.882940 O\n",
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],
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"formula_full": "Li12 Mn4 P8 O32",
"formula_reduced": "Li3Mn(PO4)2",
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"spacegroup": 12
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{
"id": "mp-1034638",
"created_at": "2022-09-04T14:42:05.541841Z",
"structure_string": "Na1 Mg14 B1 O15\n1.0\n8.701948 0.000000 0.000000\n0.000000 8.262054 0.000000\n0.000000 0.000000 4.325443\nNa Mg B O\n1 14 1 15\ndirect\n0.996718 -0.000000 -0.000000 Na\n0.498150 -0.000000 -0.000000 Mg\n0.502205 0.500000 -0.000000 Mg\n0.999901 0.259253 0.500000 Mg\n0.999901 0.740747 0.500000 Mg\n0.497092 0.249895 0.500000 Mg\n0.497092 0.750105 0.500000 Mg\n0.243896 -0.000000 0.500000 Mg\n0.243173 0.500000 0.500000 Mg\n0.752297 -0.000000 0.500000 Mg\n0.759841 0.500000 0.500000 Mg\n0.250327 0.248129 0.000000 Mg\n0.250327 0.751871 -0.000000 Mg\n0.744581 0.258084 -0.000000 Mg\n0.744581 0.741916 -0.000000 Mg\n0.060661 0.500000 -0.000000 B\n0.256003 -0.000000 -0.000000 O\n0.737936 -0.000000 -0.000000 O\n0.727076 0.500000 -0.000000 O\n0.245766 0.250868 0.500000 O\n0.245766 0.749132 0.500000 O\n0.752664 0.251546 0.500000 O\n0.752664 0.748454 0.500000 O\n0.998992 -0.000000 0.500000 O\n0.008696 0.500000 0.500000 O\n0.497987 -0.000000 0.500000 O\n0.485892 0.500000 0.500000 O\n0.008284 0.327615 -0.000000 O\n0.008284 0.672385 -0.000000 O\n0.491624 0.252825 -0.000000 O\n0.491624 0.747175 -0.000000 O\n",
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{
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"structure_string": "Hf4 Cr4 O12\n1.0\n4.906804 0.000000 0.000000\n0.000000 5.329205 0.000000\n0.000000 0.000000 9.361863\nHf Cr O\n4 4 12\ndirect\n0.048297 0.956413 0.750000 Hf\n0.451703 0.456413 0.750000 Hf\n0.548297 0.543587 0.250000 Hf\n0.951703 0.043587 0.250000 Hf\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.193678 0.359836 0.250000 O\n0.306322 0.859837 0.250000 O\n0.693678 0.140164 0.750000 O\n0.806322 0.640163 0.750000 O\n0.214019 0.221213 0.604262 O\n0.214019 0.221213 0.895738 O\n0.285981 0.721213 0.604262 O\n0.285981 0.721213 0.895738 O\n0.714019 0.278787 0.104262 O\n0.714019 0.278787 0.395738 O\n0.785981 0.778787 0.104262 O\n0.785981 0.778787 0.395738 O\n",
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{
"id": "mp-554016",
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"structure_string": "K16 Ti8 P4 O16 F36\n1.0\n11.162715 0.000000 0.000000\n0.000000 5.937052 0.000000\n0.000000 5.598994 19.710294\nK Ti P O F\n16 8 4 16 36\ndirect\n0.046270 0.657075 0.832718 K\n0.453730 0.657075 0.332718 K\n0.268918 0.456377 0.515756 K\n0.731082 0.543623 0.484244 K\n0.756020 0.127950 0.859810 K\n0.768918 0.543623 0.984244 K\n0.455888 0.640697 0.848511 K\n0.044112 0.640697 0.348511 K\n0.243980 0.872050 0.140190 K\n0.955888 0.359303 0.651489 K\n0.544112 0.359303 0.151489 K\n0.546270 0.342925 0.667282 K\n0.256020 0.872050 0.640190 K\n0.231082 0.456377 0.015756 K\n0.743980 0.127950 0.359810 K\n0.953730 0.342925 0.167282 K\n0.000000 0.000000 0.500000 Ti\n0.746158 0.719270 0.754918 Ti\n0.253842 0.280730 0.245082 Ti\n0.246158 0.280730 0.745082 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.753842 0.719270 0.254918 Ti\n0.500000 0.000000 0.500000 Ti\n0.752497 0.955269 0.591558 P\n0.252497 0.044731 0.908442 P\n0.747503 0.955269 0.091558 P\n0.247503 0.044731 0.408442 P\n0.161219 0.077925 0.963300 O\n0.377048 0.120409 0.930610 O\n0.749188 0.200212 0.099835 O\n0.622952 0.879591 0.069390 O\n0.838781 0.922075 0.036700 O\n0.249188 0.799788 0.400165 O\n0.338781 0.077925 0.463300 O\n0.219783 0.236047 0.841042 O\n0.719783 0.763953 0.658958 O\n0.280217 0.236047 0.341042 O\n0.122952 0.120409 0.430610 O\n0.250812 0.799788 0.900165 O\n0.661219 0.922075 0.536700 O\n0.750812 0.200212 0.599835 O\n0.877048 0.879591 0.569390 O\n0.780217 0.763953 0.158958 O\n0.960755 0.852056 0.931668 F\n0.441771 0.712549 0.557817 F\n0.770387 0.663917 0.851200 F\n0.132086 0.055541 0.257722 F\n0.127122 0.520400 0.723933 F\n0.138010 0.520878 0.239947 F\n0.039245 0.147944 0.068332 F\n0.367914 0.055541 0.757722 F\n0.901840 0.257872 0.456240 F\n0.941771 0.287451 0.942183 F\n0.460755 0.147944 0.568332 F\n0.867914 0.944459 0.742278 F\n0.372878 0.520400 0.223933 F\n0.361990 0.520878 0.739947 F\n0.928362 0.827432 0.444045 F\n0.868900 0.944476 0.262236 F\n0.729613 0.663917 0.351200 F\n0.098160 0.742128 0.543760 F\n0.071638 0.172568 0.555955 F\n0.401840 0.742128 0.043760 F\n0.539245 0.852056 0.431668 F\n0.558229 0.287451 0.442183 F\n0.632086 0.944459 0.242278 F\n0.270387 0.336083 0.648800 F\n0.428362 0.172568 0.055955 F\n0.861990 0.479122 0.760053 F\n0.131100 0.055524 0.737764 F\n0.058229 0.712549 0.057817 F\n0.229613 0.336083 0.148800 F\n0.872878 0.479600 0.276067 F\n0.631100 0.944476 0.762236 F\n0.638010 0.479122 0.260053 F\n0.598160 0.257872 0.956240 F\n0.368900 0.055524 0.237764 F\n0.571638 0.827432 0.944045 F\n0.627122 0.479600 0.776067 F\n",
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"formula_full": "K16 Ti8 P4 O16 F36",
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{
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}